CXCR7 modulator 2

Name: CXCR7 modulator 2
Brand: MedChemExpress
SKU: HY-112154
Rating: 4.5 (1 reviews)

Cat. No.: HY-112154 Purity: 98.39%: FAQs
Data Sheet SDS COA Handling Instructions

Molarity Calculator

CXCR7 modulator 2 is a modulator of C-X-C Chemokine Receptor Type 7 (CXCR7), with a K_i of 13 nM.

For research use only. We do not sell to patients.

CXCR7 modulator 2 Chemical Structure

CAS No. : 2227426-37-9

Size	Price	Stock	Quantity
Solid + Solvent (Highly Recommended)
10 mM * 1 mL in DMSO ready for reconstitution	USD 747	In-stock	Estimated Time of Arrival: December 31
Solution
10 mM * 1 mL in DMSO	USD 747	In-stock	Estimated Time of Arrival: December 31
Solid
5 mg	USD 650	In-stock	Estimated Time of Arrival: December 31
10 mg	USD 950	In-stock	Estimated Time of Arrival: December 31
50 mg	USD 2950	In-stock	Estimated Time of Arrival: December 31
100 mg	USD 4950	In-stock	Estimated Time of Arrival: December 31
200 mg		Get quote
500 mg		Get quote

or Bulk Inquiry

* Please select Quantity before adding items.

This product is a controlled substance and not for sale in your territory.

Customer Review

Based on 1 publication(s) in Google Scholar

Featured Recommendations

•Related Screening Libraries:

•Related Small Molecules:

•Related Proteins:

View All CXCR Isoform Specific Products:

View All Isoforms

Biological Activity
Protocol
Purity & Documentation
References
Customer Review

Description

CXCR7 modulator 2 is a modulator of C-X-C Chemokine Receptor Type 7 (CXCR7), with a K_i of 13 nM.

IC₅₀ & Target^[1]

CXCR7

13 nM (Ki)

In Vitro

CXCR7 modulator 2 (compound 18) demonstrates potent CXCR7-binding affinity (K_i=13 nM) and β-arrestin activity (EC₅₀=11 nM). CXCR7 modulator 2 also exhibits improved selectivity in the GPCR panel and an improved therapeutic index in the hERG patch-clamp assay in comparison with 11c. CXCR7 modulator 2 exhibits moderate to high in vitro turn over in both NADPH-supplemented mouse-liver microsomes (MLM, 93 μL/min/mg) and hepatocytes (28 μL/min per million cells), shows poor passive absorptive permeability in the MDCK II-permeability assay, and has good aqueous solubility. CXCR7 modulator 2 is rapidly absorbed with a mean maximal plasma concentration (C_max) of 682 ng/mL, which occurrs at 0.25 h (T_max). The corresponding mean area under the plasma-concentration-versus-time profile (AUC) is 740 ng/mL/h^[1].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

The administration of isoproterenol for 9 days leads to the development of cardiac fibrosis, as attested by the approximately 4-fold increase in collagen deposition relative to that in the control, which is detected by picrosirius-red staining. Treatment with CXCR7 modulator 2 results in a statistically significant reduction in cardiac fibrosis, thereby demonstrating the protective role of CXCR7 modulation with CXCR7 modulator 2 in an isoproterenol-induced cardiac injury^[1].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Molecular Weight

522.68

Formula

C₂₉H₄₂N₆O₃

CAS No.

2227426-37-9

Appearance

Solid

Color

Light yellow to yellow

SMILES

O=C([C@@H]1[C@H](O2)CC[C@H]2C1)N3CCC([C@H](CC(N)=O)N4CCCN(C5=C(CC)C=CN6C5=NC=C6)CC4)CC3

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

Powder	-20°C	3 years
	4°C	2 years
In solvent	-80°C	2 years
	-20°C	1 year

Solvent & Solubility

In Vitro:

DMSO : 250 mg/mL (478.30 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

Preparing
Stock Solutions

Concentration Solvent Mass	1 mg	5 mg	10 mg

1 mM	1.9132 mL	9.5661 mL	19.1322 mL
5 mM	0.3826 mL	1.9132 mL	3.8264 mL
10 mM	0.1913 mL	0.9566 mL	1.9132 mL

View the Complete Stock Solution Preparation Table

* Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 2 years; -20°C, 1 year. When stored at -80°C, please use it within 2 years. When stored at -20°C, please use it within 1 year.

Molarity Calculator
Dilution Calculator

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

In Vivo:

Select the appropriate dissolution method based on your experimental animal and administration route.

For the following dissolution methods, please ensure to first prepare a clear stock solution using an In Vitro approach and then sequentially add co-solvents:
To ensure reliable experimental results, the clarified stock solution can be appropriately stored based on storage conditions. As for the working solution for in vivo experiments, it is recommended to prepare freshly and use it on the same day.
The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.

Protocol 1

Add each solvent one by one: 10% DMSO 40% PEG300 5% Tween-80 45% Saline
Solubility: ≥ 2.08 mg/mL (3.98 mM); Clear solution

This protocol yields a clear solution of ≥ 2.08 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (20.8 mg/mL) to 400 μL PEG300, and mix evenly; then add 50 μL Tween-80 and mix evenly; then add 450 μL Saline to adjust the volume to 1 mL.
Preparation of Saline: Dissolve 0.9 g sodium chloride in ddH₂O and dilute to 100 mL to obtain a clear Saline solution.
Protocol 2

Add each solvent one by one: 10% DMSO 90% (20% SBE-β-CD in Saline)
Solubility: ≥ 2.08 mg/mL (3.98 mM); Clear solution

This protocol yields a clear solution of ≥ 2.08 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (20.8 mg/mL) to 900 μL 20% SBE-β-CD in Saline, and mix evenly.
Preparation of 20% SBE-β-CD in Saline (4°C, storage for one week): 2 g SBE-β-CD powder is dissolved in 10 mL Saline, completely dissolve until clear.
Protocol 3

Add each solvent one by one: 10% DMSO 90% Corn Oil
Solubility: ≥ 2.08 mg/mL (3.98 mM); Clear solution

This protocol yields a clear solution of ≥ 2.08 mg/mL (saturation unknown). If the continuous dosing period exceeds half a month, please choose this protocol carefully.
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (20.8 mg/mL) to 900 μL Corn oil, and mix evenly.

In Vivo Dissolution Calculator

Please enter the basic information of animal experiments:

Dosage

mg/kg

Animal weight
(per animal)

Dosing volume
(per animal)

μL

Number of animals

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.

Please enter your animal formula composition:

DMSO +

Tween-80 +

Saline

Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.

The co-solvents required include: DMSO, . All of co-solvents are available by MedChemExpress (MCE). , Tween 80. All of co-solvents are available by MedChemExpress (MCE).

Calculation results:

Working solution concentration: mg/mL

Method for preparing stock solution: mg drug dissolved in μL DMSO (Stock solution concentration: mg/mL).

The concentration of the stock solution you require exceeds the measured solubility. The following solution is for reference only. If necessary, please contact MedChemExpress (MCE).

Method for preparing in vivo working solution for animal experiments: Take μL DMSO stock solution, add μL . μL , mix evenly, next add μL Tween 80, mix evenly, then add μL Saline.

If the continuous dosing period exceeds half a month, please choose this protocol carefully.

Please ensure that the stock solution in the first step is dissolved to a clear state, and add co-solvents in sequence. You can use ultrasonic heating (ultrasonic cleaner, recommended frequency 20-40 kHz), vortexing, etc. to assist dissolution.

Purity & Documentation

Purity: 98.39%

Select Batch:

Data Sheet (278 KB) SDS (0 KB)

COA (253 KB) LCMS (269 KB)

Handling Instructions (2659 KB)

References

[1]. Menhaji-Klotz E, et al. Discovery of a Novel Small-Molecule Modulator of C-X-C Chemokine Receptor Type 7 as a Treatment for Cardiac Fibrosis. J Med Chem. 2018 Apr 26;61(8):3685-3696. [Content Brief]

Cell Assay ^[1]	Measurements of potassium currents in HEK293 cells are stably transfected with the hERG channel^[1]. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Animal Administration ^[1]	Mice^[1] A total of 60 male BALB/c mice (8 weeks of age) are randomized into four study groups. In two groups, isoproterenol (5 mg/kg) is administered subcutaneously once daily for 9 days to induce cardiac fibrosis. In addition, the mice in these two groups are further treated twice daily throughout the 9 day study duration with either CXCR7 modulator 2 at 30 mg/kg (n=20) or the vehicle (n=20). The mice in the third group receives PBS and the vehicle and thus serves as controls (n=15). The fourth group (n=5), which receives both isoproterenol and CXCR7 modulator 2, are used for blood sampling at 1 and 9 h postdose on days 1, 3, 6, and 9 (1 h only) to provide an overall estimate of CXCR7 coverage relative to mouse K_i. The exposures to CXCR7 modulator 2 achieved in the BALB/c mice at the 30 mg/kg dose are approximately as expected, with the unbound Cave>95% target coverage^[1]. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
References	[1]. Menhaji-Klotz E, et al. Discovery of a Novel Small-Molecule Modulator of C-X-C Chemokine Receptor Type 7 as a Treatment for Cardiac Fibrosis. J Med Chem. 2018 Apr 26;61(8):3685-3696. [Content Brief]

Complete Stock Solution Preparation Table

Optional Solvent	Concentration Solvent Mass	1 mg	5 mg	10 mg	25 mg

DMSO	1 mM	1.9132 mL	9.5661 mL	19.1322 mL	47.8304 mL
	5 mM	0.3826 mL	1.9132 mL	3.8264 mL	9.5661 mL
	10 mM	0.1913 mL	0.9566 mL	1.9132 mL	4.7830 mL
	15 mM	0.1275 mL	0.6377 mL	1.2755 mL	3.1887 mL
	20 mM	0.0957 mL	0.4783 mL	0.9566 mL	2.3915 mL
	25 mM	0.0765 mL	0.3826 mL	0.7653 mL	1.9132 mL
	30 mM	0.0638 mL	0.3189 mL	0.6377 mL	1.5943 mL
	40 mM	0.0478 mL	0.2392 mL	0.4783 mL	1.1958 mL
	50 mM	0.0383 mL	0.1913 mL	0.3826 mL	0.9566 mL
	60 mM	0.0319 mL	0.1594 mL	0.3189 mL	0.7972 mL
	80 mM	0.0239 mL	0.1196 mL	0.2392 mL	0.5979 mL
	100 mM	0.0191 mL	0.0957 mL	0.1913 mL	0.4783 mL